ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001479
RECORD_TITLE: VALERALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: VALERALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O
CH$EXACT_MASS: 86.07316
CH$SMILES: CCCCC=O
CH$IUPAC: InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
CH$LINK: INCHIKEY HGBOYTHUEUWSSQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021653

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-6a52391bbc8e88bb10e4
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 2.83 28
  26 3.68 37
  27 27 270
  28 9.75 98
  29 44.5 445
  30 1.6 16
  31 1.77 18
  38 1.84 18
  39 13.23 132
  40 2.26 23
  41 33.7 337
  42 10.56 106
  43 15.95 160
  44 99.99 999
  45 11.58 116
  50 1.18 12
  51 1.15 12
  53 1.7 17
  55 3.93 39
  56 1.92 19
  57 16.85 169
  58 33.78 338
  59 1.4 14
  67 1 10
  71 1.62 16
  86 2.63 26
//